2-[(2-methyl-5-nitrophenyl)carbamoyl]cyclopentane-1-carboxylic acid

C14H16N2O5 — CID 103977998

IUPAC2-[(2-methyl-5-nitrophenyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)C1CCCC1C(=O)O
InChIInChI=1S/C14H16N2O5/c1-8-5-6-9(16(20)21)7-12(8)15-13(17)10-3-2-4-11(10)14(18)19/h5-7,10-11H,2-4H2,1H3,(H,15,17)(H,18,19)
InChIKeyWSARAGDVATUGLH-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.34
Rot. Bonds4

About 2-[(2-methyl-5-nitrophenyl)carbamoyl]cyclopentane-1-carboxylic acid

2-[(2-methyl-5-nitrophenyl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103977998) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is 2-[(2-methyl-5-nitrophenyl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methyl-5-nitrophenyl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103977998
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name2-[(2-methyl-5-nitrophenyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)C1CCCC1C(=O)O
InChIInChI=1S/C14H16N2O5/c1-8-5-6-9(16(20)21)7-12(8)15-13(17)10-3-2-4-11(10)14(18)19/h5-7,10-11H,2-4H2,1H3,(H,15,17)(H,18,19)
InChIKeyWSARAGDVATUGLH-UHFFFAOYSA-N
XLogP2.34
TPSA109.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-N,4-N-bis(2-methyl-5-nitrophenyl)cyclohexane-1,4-dicarboxamide
CID 4927083
(3S)-1-methyl-N-(2-methyl-5-nitrophenyl)piperidine-3-carboxamide
CID 99970167
cis-(1S,2R)-2-[(2-methyl-4-nitrophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93366490
2-methyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide
CID 106739038
2-amino-N-(2-methyl-4-nitrophenyl)cyclopentane-1-carboxamide
CID 64824134
trans-(1R,2R)-3-methylidene-1-N,2-N-bis(2-methyl-5-nitrophenyl)cyclopropane-1,2-dicarboxamide
CID 2327600
(4Z)-N-(2-methyl-5-nitrophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 5286985
1-methyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide
CID 99817602
(1R,2S,3R,4R)-3-[(2-methyl-5-nitrophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 98260466
2-[[4-(4-nitrophenyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 66738360
1-acetyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide
CID 108804425
6-[(2-methyl-4-nitrophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 45331123

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-5-nitrophenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(2-methyl-5-nitrophenyl)carbamoyl]cyclopentane-1-carboxylic acid (CID 103977998) is 2-[(2-methyl-5-nitrophenyl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-methyl-5-nitrophenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(2-methyl-5-nitrophenyl)carbamoyl]cyclopentane-1-carboxylic acid is Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CCCC1C(=O)O.
What is the InChIKey of 2-[(2-methyl-5-nitrophenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is WSARAGDVATUGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c1-8-5-6-9(16(20)21)7-12(8)15-13(17)10-3-2-4-11(10)14(18)19/h5-7,10-11H,2-4H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 2-[(2-methyl-5-nitrophenyl)carbamoyl]cyclopentane-1-carboxylic acid?
2-[(2-methyl-5-nitrophenyl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 292.29 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-5-nitrophenyl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103977998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).